[4-[3-(furan-2-ylmethylamino)-4-nitro-phenyl]piperazin-1-yl]-phenyl-methanone

Systemtic Name: [4-[3-(furan-2-ylmethylamino)-4-nitro-phenyl]piperazin-1-yl]-phenyl-methanone Openeye Name: [4-[3-(2-furylmethylamino)-4-nitro-phenyl]piperazin-1-yl]-phenyl-methanone CAS Name: [4-[3-(2-furanylmethylamino)-4-nitrophenyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-[3-(furan-2-ylmethylamino)-4-nitrophenyl]piperazin-1-yl]-phenylmethanone Traditional Name: [4-[3-(2-furfurylamino)-4-nitro-phenyl]piperazino]-phenyl-methanone Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O4/c27-22(17-5-2-1-3-6-17)25-12-10-24(11-13-25)18-8-9-21(26(28)29)20(15-18)23-16-19-7-4-14-30-19/h1-9,14-15,23H,10-13,16H2